General Information of the Compound
| Compound ID |
CP0442604
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| Compound Name |
6-[4-(methyloxy)phenyl]-3-[2-(4-morpholinylmethyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C27H24N4O3S
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| Molecular Weight |
484.581
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| Canonical SMILES |
COc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C27H24N4O3S/c1-33-22-7-3-18(4-8-22)25-15-24-26(35-25)27(32)31(17-28-24)21-6-9-23-19(14-21)2-5-20(29-23)16-30-10-12-34-13-11-30/h2-9,14-15,17H,10-13,16H2,1H3
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| InChIKey |
KYMLFJZPYAXAQW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound